SCHEMBL95584

SCHEMBL95584

[CH2]CC(=O)N(C)c1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.51
HSD17B2 P37059 9/20 0.51
TP53 P04637 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 2/20 0.46
JAK2 O60674 1/20 0.46
HTT P42858 1/20 0.46
GPX4 P36969 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31425823 0.84 HSD17B1 (0.53) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL24011585 0.84 HSD17B1 (0.53) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL11338671 0.84 HSD17B1 (0.53) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL11661832 0.83 ALDH1A1 (0.60) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL9674499 0.83 HSD17B1 (0.51) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL6632095 0.82 HSD17B1 (0.57) HSD17B1HSD17B2SIGMAR1KDM4ELMNA
SCHEMBL11676115 0.81 HSD17B1 (0.50) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL28541364 0.81 HSD17B1 (0.50) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL23222221 0.81 ALDH1A1 (0.51) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1
SCHEMBL12164167 0.80 HSD17B1 (0.49) HSD17B1HSD17B2TP53SIGMAR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB HSD17B1 577/4885HSD17B2 945/4885TP53 3154/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HSD17B1 1375/4885HSD17B2 1421/4885TP53 1280/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HSD17B1 1375/4885HSD17B2 1421/4885TP53 1280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.